CID 165949179

Tert-butyl 2-{[imino(methyl)oxo-lambda6-sulfanyl]methyl}morpholine-4-carboxylate

Structural Information

Molecular Formula
C11H22N2O4S
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CS(=N)(=O)C
InChI
InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-5-6-16-9(7-13)8-18(4,12)15/h9,12H,5-8H2,1-4H3
InChIKey
ZVZMHWGDWKBWDH-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(methylsulfonimidoyl)methyl]morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13004 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13732 163.0
[M+Na]+ 301.11926 167.7
[M-H]- 277.12276 165.1
[M+NH4]+ 296.16386 176.6
[M+K]+ 317.09320 167.3
[M+H-H2O]+ 261.12730 156.8
[M+HCOO]- 323.12824 173.7
[M+CH3COO]- 337.14389 196.5
[M+Na-2H]- 299.10471 166.1
[M]+ 278.12949 163.9
[M]- 278.13059 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.